2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole

C13H15ClN2O — CID 43149486

IUPAC2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
SMILESClCc1nc2ccccc2n1CC1CCCO1
InChIInChI=1S/C13H15ClN2O/c14-8-13-15-11-5-1-2-6-12(11)16(13)9-10-4-3-7-17-10/h1-2,5-6,10H,3-4,7-9H2
InChIKeyHCHVCHMKKAGMNN-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.95
Rot. Bonds3

About 2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole

2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole (PubChem CID 43149486) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
PubChem CID43149486
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
SMILESClCc1nc2ccccc2n1CC1CCCO1
InChIInChI=1S/C13H15ClN2O/c14-8-13-15-11-5-1-2-6-12(11)16(13)9-10-4-3-7-17-10/h1-2,5-6,10H,3-4,7-9H2
InChIKeyHCHVCHMKKAGMNN-UHFFFAOYSA-N
XLogP2.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole (CID 43149486) is 2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole is ClCc1nc2ccccc2n1CC1CCCO1.
What is the InChIKey of 2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole?
The InChIKey is HCHVCHMKKAGMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-8-13-15-11-5-1-2-6-12(11)16(13)9-10-4-3-7-17-10/h1-2,5-6,10H,3-4,7-9H2.
What are the key properties of 2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole?
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole has a molecular weight of 250.73 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 43149486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).